2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C14H12N3O6- MolecularWeight: 318.26158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OC

InChI

InChI=1S/C14H13N3O6/c1-22-9-5-8(6-10(7-9)23-2)3-4-11-15-13(18)12(17(20)21)14(19)16-11/h3-7H,1-2H3,(H2,15,16,18,19)/p-1/b4-3+